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Structure, Dynamics, and Spectral Diffusion of Water from First-Principles Molecular DynamicsBankura, Arindam; Karmakar, Anwesa; Carnevale, Vincenzo; Chandra, Amalendu; Klein, Michael L. · The Journal of Physical Chemistry C · 2014
A first principles molecular dynamics study of vibrational spectral diffusion and hydrogen bond dynamics in liquid methanolVivek K. Yadav; Anwesa Karmakar; Jyoti Roy Choudhuri; Amalendu Chandra · 2012
Dynamics of vibrational spectral diffusion in water: Effects of dispersion interactions, temperature, density, system size and fictitious orbital massKarmakar, Anwesa; Chandra, Amalendu · Journal of Molecular Liquids · 2018
Water under Supercritical Conditions: Hydrogen Bonds, Polarity, and Vibrational Frequency Fluctuations from Ab Initio Simulations with a Dispersion Corrected Density FunctionalKarmakar, Anwesa; Chandra, Amalendu · ACS Omega · 2018
A first principles simulation study of vibrational spectral diffusion in aqueous NaBr solutions: Dynamics of water in ion hydration shellsKarmakar, Anwesa; Choudhuri, Jyoti Roy; Yadav, Vivek K.; Mallik, Bhabani S.; Chandra, Amalendu · Chemical Physics · 2013
Ab initio molecular dynamics studies of hydrogen bonded structure, molecular motion, and frequency fluctuations of water in the vicinity of azide ionsKarmakar, Anwesa; Chandra, Amalendu · The Journal of Chemical Physics · 2015
Water in Hydration Shell of an Iodide Ion: Structure and Dynamics of Solute-Water Hydrogen Bonds and Vibrational Spectral Diffusion from First-Principles SimulationsKarmakar, Anwesa; Chandra, Amalendu · The Journal of Physical Chemistry B · 2015
Unintentional doping in GaNZhu, Tongtong; Oliver, Rachel A. · Physical Chemistry Chemical Physics · 2012
Steered transition path samplingGuttenberg, Nicholas; Dinner, Aaron R.; Weare, Jonathan · The Journal of Chemical Physics · 2012
Self-healing superhydrophobic materialsIonov, Leonid; Synytska, Alla · Physical Chemistry Chemical Physics · 2012
Mixing normal and anomalous diffusionGeyer, Tihamér · The Journal of Chemical Physics · 2012
Redox reduxBeratan, David N.; Onuchic, José N. · Physical Chemistry Chemical Physics · 2012
Perspective: Supercooled liquids and glassesEdiger, M. D.; Harrowell, Peter · The Journal of Chemical Physics · 2012
Microwave Absorption in Compressed CO2Ho, W. · The Journal of Chemical Physics · 1966
Perspective: Nonadiabatic dynamics theoryTully, John C. · The Journal of Chemical Physics · 2012